N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17ClN6O3 — CID 70498861

IUPACN-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C[C@H](O)CO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C19H17ClN6O3/c20-13-4-1-3-12(7-13)17-16(10-25(24-17)9-14(28)11-27)23-19(29)15-8-22-26-6-2-5-21-18(15)26/h1-8,10,14,27-28H,9,11H2,(H,23,29)/t14-/m0/s1
InChIKeyGFQPMXHKKITICE-AWEZNQCLSA-N
MW412.84 g/mol
LogP1.85
Rot. Bonds6

About N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70498861) has the molecular formula C19H17ClN6O3 and a molecular weight of 412.84 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70498861
Molecular FormulaC19H17ClN6O3
Molecular Weight412.84 g/mol
Exact Mass412.11
IUPAC NameN-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C[C@H](O)CO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C19H17ClN6O3/c20-13-4-1-3-12(7-13)17-16(10-25(24-17)9-14(28)11-27)23-19(29)15-8-22-26-6-2-5-21-18(15)26/h1-8,10,14,27-28H,9,11H2,(H,23,29)/t14-/m0/s1
InChIKeyGFQPMXHKKITICE-AWEZNQCLSA-N
XLogP1.85
TPSA117.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70498861) is N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C[C@H](O)CO)nc1-c1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GFQPMXHKKITICE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClN6O3/c20-13-4-1-3-12(7-13)17-16(10-25(24-17)9-14(28)11-27)23-19(29)15-8-22-26-6-2-5-21-18(15)26/h1-8,10,14,27-28H,9,11H2,(H,23,29)/t14-/m0/s1.
What are the key properties of N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-[(2S)-2,3-dihydroxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70498861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).